对甲苯磺酸乙酯 | 80-40-0
中文名称:
对甲苯磺酸乙酯
英文名称:
Ethyl p-toluenesulfonate
CAS No.:
80-40-0
分子式:
C9 H1 2 O3 S
分子量:
200.254781723022
名称和标识符
MDL
MFCD00009100
InChIKey
VRZVPALEJCLXPR-UHFFFAOYSA-N
Inchi
1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
SMILES
O=S(C1C=CC(C)=CC=1)(OCC)=O
BRN
611213
别名信息
- 中文别名 -
对甲苯磺酸乙酯
4-甲苯磺酸乙酯
4-甲基苯磺酸乙酯
乙基-4-甲基苯磺酸酯
对甲苯磺酸乙脂
对甲苯磺酸乙酯(PTSE)
邻对甲苯磺酸乙酯(OPTSE)
4-甲苯磺酸乙酯,乙基-4-甲基苯磺酸酯,4-甲基苯磺酸乙酯,对甲苯磺酰乙酯
对甲苯磺酰乙酯
- 英文别名 -
Ethyl p-toluenesulfonate
ethyl para-toluenesulfonate
Ethyl p-toluenesulphonate
4-Toluenesulfonic Acid Ethyl Ester
4-Methylbenzenesulfonic acid
Ethyl tosylate~p-Toluenesulphonic acid ethyl ester
Ethyl p-tosylate
Ethyl p-methylbenzenesulfonate
4-Methylbenzenesulfonic acid ethyl ester
ethyl 4-methylbenzenesulfonate
Ethyl Tosylate
p-Toluenesulfonic Acid Ethyl Ester
Ethyl p-TS
Benzenesulfonic acid, 4-methyl-, ethyl ester
p-Toluenesulfonic acid, ethyl ester
Ethyl-p-toluenesulfonate
Ethyl PTS
p-Toluolsulfonsaeure aethyl ester
ethyl p-toluene sulfonate
Ethyl toluene-4-sulphonate
Ethyl p-methyl benzenesulfonate
ethyl 4-methylbenzene-1-sulfonate
Ethyl 4-toluenesulfonate
toluene-4-sulfonic aci
4-methylbenzenesulfonate
ethyl p-toluensulfonate
EN300-18116
EINECS 201-276-7
UNII-2160N0YURF
Ethyl 4-methylbenzenesulfonate
BRN 0611213
toluene-4-sulfonic acid ethyl ester
ETHYL P-METHYLBENZENESULFONATE
MFCD00009100
Ethyl ester of p-Toluenesulfonic acid
80-40-0
Ethyl 4-methylbenzenesulfonate #
Ethyl toluene-4-sulfonate
T0268
A839902
Ethyl para-toluenesulfonate
H11959
2160N0YURF
LS-154168
Q27253524
InChI=1/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H
ethyl-p-toluene sulphonate
NSC-8887
CCRIS 1028
Ethyl p-toluenesulfonate, certified reference material, TraceCERT(R)
AI3-08004
Mittel AEP
DTXSID2058833
HY-W014895
NSC 8887
Ethylester kyseliny p-toluensulfonove
ethyl 4-methyl-1-benzenesulfonate
ethyltoluen-4-sulfonat
ethyl-p-toluene-sulfonate
4-methyl-benzenesulfonic acid ethyl ester
Ethylester kyseliny p-toluensulfonove [Czech]
p-toluenesulfonic acid ethyl
p-Toluenesulfonate Ethyl ester
STL268850
ethyl paratoluene sulphonate
WLN: 2OSWR D1
SCHEMBL76249
4-11-00-00248 (Beilstein Handbook Reference)
Z57169563
CS-W015611
Ethyl p-toluenesulfonate, 98%
AKOS000120217
F0001-2084
p-Toluolsulfonsaeure aethyl ester [German]
FT-0626235
ETHYL P-TOLUENESULFONATE [MI]
Ethyl tosylate
HSDB 5235
NSC8887
NS00020122
p-Toluenesulfonic acid, ethyl ester (6CI, 7CI, 8CI)
Aldrich 104256
Ethyl toluenesulfonate
Toluene-4-sulfonic acid ethyl ester
物化性质
实验特性
LogP
2.80100
PSA
51.75000
Merck
3858
折射率
n20/D 1.511(lit.)
水溶性
不溶
沸点
158-162 °C/10 mmHg(lit.)
熔点
29-33 °C (lit.)
闪点
华氏:316.4 °F 摄氏:158 °C
溶解度
1.24g/l
颜色与性状
无色单斜结晶
溶解性
溶于乙醇、乙醚、苯,不溶于水
敏感性
Moisture Sensitive
密度
1.174 g/mL at 25 °C(lit.)
计算特性
精确分子量
200.05100
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
3
同位素质量
200.050715
重原子数量
13
复杂度
232
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
1.8
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
51.8
海关数据
海关编码
29041000
海关数据
中国海关编码:
29041000
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参考资料
Reaxys RN
611213
Beilstein
611213
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